SCHEMBL22809701

SCHEMBL22809701

Cc1cccc(F)c1Oc1cc(Cl)ccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 4/20 0.48
▸ SCN10A Q9Y5Y9 4/20 0.48
▸ HTR1A P08908 4/20 0.41
▸ SLC6A2 P23975 4/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ ERN1 O75460 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ ANO1 Q5XXA6 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22809650 0.86 SCN8A (0.47) SCN8ASCN10AHTR1ASLC6A2SLC6A4
SCHEMBL3325788 0.85 ERN1 (0.41) SCN8ASCN10AERN1TDP1ALDH1A1
SCHEMBL4509584 0.79 TDP1 (0.44) SLC6A2SLC6A4ERN1TDP1NPSR1
SCHEMBL4515945 0.79 NPSR1 (0.46) SLC6A2SLC6A4ERN1TDP1NPSR1
SCHEMBL5992341 0.75 SCN8A (0.47) SCN8ASCN10ASLC6A2SLC6A4TDP1
SCHEMBL5989756 0.73 L3MBTL1 (0.58) SLC6A4TDP1NPSR1ALDH1A1HTR2A
SCHEMBL5989471 0.73 LMNA (0.42) HTR1ASLC6A2SLC6A4ERN1TDP1
SCHEMBL19524141 0.73 SCN8A (0.51) SCN8ASCN10AHTR1ASLC6A2SLC6A4
SCHEMBL23709944 0.72 SLC6A4 (0.50) HTR1ASLC6A2SLC6A4ERN1TDP1
SCHEMBL5991434 0.71 SCN8A (0.45) SCN8ASCN10ASLC6A2SLC6A4ERN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 — — EP disclosed
Send feedback